Ethanol → 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1-methylimidazo[4,5-b]pyridin-2-one
Reaction equation
[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([n:8]1)[n:9]([CH:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1)[c:10](=[O:13])[n:11]2[CH3:12])[CH3:20].[CH3:21][S:22](=[O:23])(=[O:24])[N:25]1[CH2:26][c:27]2[c:28]([n:31]([CH2:44][CH:45]3[O:46][CH2:47]3)[n:32][c:33]2-[c:34]2[cH:35][cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]2)[CH2:29][CH2:30]1.[CH3:48][CH2:49][OH:50].[Cl:51][CH:52]([Cl:53])[CH3:54]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([n:8]1)[n:9]([CH:14]1[CH2:15][CH2:16][N:17]([CH2:47][CH:45]([CH2:44][n:31]3[c:28]4[c:27]([c:33](-[c:34]5[cH:35][cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]5)[n:32]3)[CH2:26][N:25]([S:22]([CH3:21])(=[O:23])=[O:24])[CH2:30][CH2:29]4)[OH:46])[CH2:18][CH2:19]1)[c:10](=[O:13])[n:11]2[CH3:12])[CH3:20]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-a164a41002c449358fc3ce181888eff6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…